2-methyl-1-(5-propyl-1H-1,2,4-triazol-3-yl)butan-1-amine

C10H20N4 — CID 61338723

IUPAC2-methyl-1-(5-propyl-1H-1,2,4-triazol-3-yl)butan-1-amine
SMILESCCCc1nc(C(N)C(C)CC)n[nH]1
InChIInChI=1S/C10H20N4/c1-4-6-8-12-10(14-13-8)9(11)7(3)5-2/h7,9H,4-6,11H2,1-3H3,(H,12,13,14)
InChIKeyMQUPHBNYQGRYJV-UHFFFAOYSA-N
MW196.30 g/mol
LogP1.80
Rot. Bonds5

About 2-methyl-1-(5-propyl-1H-1,2,4-triazol-3-yl)butan-1-amine

2-methyl-1-(5-propyl-1H-1,2,4-triazol-3-yl)butan-1-amine (PubChem CID 61338723) has the molecular formula C10H20N4 and a molecular weight of 196.30 g/mol. Its IUPAC name is 2-methyl-1-(5-propyl-1H-1,2,4-triazol-3-yl)butan-1-amine.

Molecular Properties

Compound Name2-methyl-1-(5-propyl-1H-1,2,4-triazol-3-yl)butan-1-amine
PubChem CID61338723
Molecular FormulaC10H20N4
Molecular Weight196.30 g/mol
Exact Mass196.17
IUPAC Name2-methyl-1-(5-propyl-1H-1,2,4-triazol-3-yl)butan-1-amine
SMILESCCCc1nc(C(N)C(C)CC)n[nH]1
InChIInChI=1S/C10H20N4/c1-4-6-8-12-10(14-13-8)9(11)7(3)5-2/h7,9H,4-6,11H2,1-3H3,(H,12,13,14)
InChIKeyMQUPHBNYQGRYJV-UHFFFAOYSA-N
XLogP1.80
TPSA67.59 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500196.30
LogP ≤ 51.80
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-methyl-1-(5-propyl-1H-1,2,4-triazol-3-yl)butan-1-amine?
The IUPAC name of 2-methyl-1-(5-propyl-1H-1,2,4-triazol-3-yl)butan-1-amine (CID 61338723) is 2-methyl-1-(5-propyl-1H-1,2,4-triazol-3-yl)butan-1-amine.
What is the SMILES notation for 2-methyl-1-(5-propyl-1H-1,2,4-triazol-3-yl)butan-1-amine?
The canonical SMILES for 2-methyl-1-(5-propyl-1H-1,2,4-triazol-3-yl)butan-1-amine is CCCc1nc(C(N)C(C)CC)n[nH]1.
What is the InChIKey of 2-methyl-1-(5-propyl-1H-1,2,4-triazol-3-yl)butan-1-amine?
The InChIKey is MQUPHBNYQGRYJV-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H20N4/c1-4-6-8-12-10(14-13-8)9(11)7(3)5-2/h7,9H,4-6,11H2,1-3H3,(H,12,13,14).
What are the key properties of 2-methyl-1-(5-propyl-1H-1,2,4-triazol-3-yl)butan-1-amine?
2-methyl-1-(5-propyl-1H-1,2,4-triazol-3-yl)butan-1-amine has a molecular weight of 196.30 g/mol, XLogP of 1.80, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-1-(5-propyl-1H-1,2,4-triazol-3-yl)butan-1-amine is sourced from PubChem (CID 61338723), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).